3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

C13H17NS2 — CID 104994963

IUPAC3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-14-10(5-4-9-2-3-9)12-8-13-11(16-12)6-7-15-13/h6-10,14H,2-5H2,1H3
InChIKeyNLBIPUBYHZNHBI-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.41
Rot. Bonds5

About 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (PubChem CID 104994963) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
PubChem CID104994963
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-14-10(5-4-9-2-3-9)12-8-13-11(16-12)6-7-15-13/h6-10,14H,2-5H2,1H3
InChIKeyNLBIPUBYHZNHBI-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 115849469
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 105005930
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
CID 107968452
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 103053200
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (CID 104994963) is 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is CNC(CCC1CC1)c1cc2sccc2s1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The InChIKey is NLBIPUBYHZNHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-14-10(5-4-9-2-3-9)12-8-13-11(16-12)6-7-15-13/h6-10,14H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is sourced from PubChem (CID 104994963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).